N-[[6-(fluoromethyl)-1,3-benzodioxol-4-yl]methyl]hydroxylamine

C9H10FNO3 — CID 117288214

IUPACN-[[6-(fluoromethyl)-1,3-benzodioxol-4-yl]methyl]hydroxylamine
SMILESONCc1cc(CF)cc2c1OCO2
InChIInChI=1S/C9H10FNO3/c10-3-6-1-7(4-11-12)9-8(2-6)13-5-14-9/h1-2,11-12H,3-5H2
InChIKeyYDNVUWAZLGPPJT-UHFFFAOYSA-N
MW199.18 g/mol
LogP1.36
Rot. Bonds3

About N-[[6-(fluoromethyl)-1,3-benzodioxol-4-yl]methyl]hydroxylamine

N-[[6-(fluoromethyl)-1,3-benzodioxol-4-yl]methyl]hydroxylamine (PubChem CID 117288214) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is N-[[6-(fluoromethyl)-1,3-benzodioxol-4-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[6-(fluoromethyl)-1,3-benzodioxol-4-yl]methyl]hydroxylamine
PubChem CID117288214
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC NameN-[[6-(fluoromethyl)-1,3-benzodioxol-4-yl]methyl]hydroxylamine
SMILESONCc1cc(CF)cc2c1OCO2
InChIInChI=1S/C9H10FNO3/c10-3-6-1-7(4-11-12)9-8(2-6)13-5-14-9/h1-2,11-12H,3-5H2
InChIKeyYDNVUWAZLGPPJT-UHFFFAOYSA-N
XLogP1.36
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]-2,2-dimethylpropanoic acid
CID 117388493
1-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]ethanone
CID 84666658
3-[7-(fluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propan-1-ol
CID 117325304
N-[(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)methyl]hydroxylamine
CID 117414277
1-[2-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine
CID 117419870
3-[7-(fluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propanoic acid
CID 84701892
1-[[7-(fluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]methyl]cyclopropan-1-ol
CID 117348853
6-(fluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride
CID 84707691
N-[(7-bromo-6-methyl-1,3-benzodioxol-5-yl)methyl]hydroxylamine
CID 117403820
3-amino-1-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]propan-1-one
CID 117322864
4-[7-(fluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]butan-1-amine
CID 117350963
N-[(6-chloro-5-fluoro-1,3-benzodioxol-4-yl)methyl]hydroxylamine
CID 117313514

Frequently Asked Questions

What is the IUPAC name of N-[[6-(fluoromethyl)-1,3-benzodioxol-4-yl]methyl]hydroxylamine?
The IUPAC name of N-[[6-(fluoromethyl)-1,3-benzodioxol-4-yl]methyl]hydroxylamine (CID 117288214) is N-[[6-(fluoromethyl)-1,3-benzodioxol-4-yl]methyl]hydroxylamine.
What is the SMILES notation for N-[[6-(fluoromethyl)-1,3-benzodioxol-4-yl]methyl]hydroxylamine?
The canonical SMILES for N-[[6-(fluoromethyl)-1,3-benzodioxol-4-yl]methyl]hydroxylamine is ONCc1cc(CF)cc2c1OCO2.
What is the InChIKey of N-[[6-(fluoromethyl)-1,3-benzodioxol-4-yl]methyl]hydroxylamine?
The InChIKey is YDNVUWAZLGPPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c10-3-6-1-7(4-11-12)9-8(2-6)13-5-14-9/h1-2,11-12H,3-5H2.
What are the key properties of N-[[6-(fluoromethyl)-1,3-benzodioxol-4-yl]methyl]hydroxylamine?
N-[[6-(fluoromethyl)-1,3-benzodioxol-4-yl]methyl]hydroxylamine has a molecular weight of 199.18 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(fluoromethyl)-1,3-benzodioxol-4-yl]methyl]hydroxylamine is sourced from PubChem (CID 117288214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).